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Search term: 71048667 (Found by CSID)
ChemSpider 2D Image | 12,13-dedihydroversiol | C16H20O3

12,13-dedihydroversiol

  • Molecular FormulaC16H20O3
  • Average mass260.328 Da
  • Monoisotopic mass260.141235 Da
  • ChemSpider ID71048667

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4aS,8S,10S,10aS,10bR)-10-Hydroxy-4a,8,10b-trimethyl-4a,8,9,10,10a,10b-hexahydro-1H-benzo[f]chromen-1-on [German] [ACD/IUPAC Name]
(4aS,8S,10S,10aS,10bR)-10-Hydroxy-4a,8,10b-trimethyl-4a,8,9,10,10a,10b-hexahydro-1H-benzo[f]chromen-1-one [ACD/IUPAC Name]
(4aS,8S,10S,10aS,10bR)-10-Hydroxy-4a,8,10b-triméthyl-4a,8,9,10,10a,10b-hexahydro-1H-benzo[f]chromén-1-one [French] [ACD/IUPAC Name]
12,13-dedihydroversiol
1H-Naphtho[2,1-b]pyran-1-one, 4a,8,9,10,10a,10b-hexahydro-10-hydroxy-4a,8,10b-trimethyl-, (4aS,8S,10S,10aS,10bR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 401.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 146.8±22.2 °C
Index of Refraction: 1.579
Molar Refractivity: 72.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.40
ACD/KOC (pH 5.5): 410.32
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.40
ACD/KOC (pH 7.4): 410.32
Polar Surface Area: 47 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 219.2±5.0 cm3

Click to predict properties on the Chemicalize site


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